7-(4-cyclohexylphenyl)-N-phenyl-3,4-dihydro-2H-quinoxaline-1-carboxamide

C27H29N3O — CID 70854155

IUPAC7-(4-cyclohexylphenyl)-N-phenyl-3,4-dihydro-2H-quinoxaline-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCNc2ccc(-c3ccc(C4CCCCC4)cc3)cc21
InChIInChI=1S/C27H29N3O/c31-27(29-24-9-5-2-6-10-24)30-18-17-28-25-16-15-23(19-26(25)30)22-13-11-21(12-14-22)20-7-3-1-4-8-20/h2,5-6,9-16,19-20,28H,1,3-4,7-8,17-18H2,(H,29,31)
InChIKeyRGRFLZNRSCENFK-UHFFFAOYSA-N
MW411.55 g/mol
LogP6.87
Rot. Bonds3

About 7-(4-cyclohexylphenyl)-N-phenyl-3,4-dihydro-2H-quinoxaline-1-carboxamide

7-(4-cyclohexylphenyl)-N-phenyl-3,4-dihydro-2H-quinoxaline-1-carboxamide (PubChem CID 70854155) has the molecular formula C27H29N3O and a molecular weight of 411.55 g/mol. Its IUPAC name is 7-(4-cyclohexylphenyl)-N-phenyl-3,4-dihydro-2H-quinoxaline-1-carboxamide.

Molecular Properties

Compound Name7-(4-cyclohexylphenyl)-N-phenyl-3,4-dihydro-2H-quinoxaline-1-carboxamide
PubChem CID70854155
Molecular FormulaC27H29N3O
Molecular Weight411.55 g/mol
Exact Mass411.23
IUPAC Name7-(4-cyclohexylphenyl)-N-phenyl-3,4-dihydro-2H-quinoxaline-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCNc2ccc(-c3ccc(C4CCCCC4)cc3)cc21
InChIInChI=1S/C27H29N3O/c31-27(29-24-9-5-2-6-10-24)30-18-17-28-25-16-15-23(19-26(25)30)22-13-11-21(12-14-22)20-7-3-1-4-8-20/h2,5-6,9-16,19-20,28H,1,3-4,7-8,17-18H2,(H,29,31)
InChIKeyRGRFLZNRSCENFK-UHFFFAOYSA-N
XLogP6.87
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-(4-cyclohexylphenyl)-N-phenyl-2,3,4,5-tetrahydro-1,4-benzodiazepine-1-carboxamide
CID 70854021
5-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2,3-dihydroindole-1-carboxamide
CID 58064565
5-(4-cyclohexylphenyl)-N-(2-methoxyphenyl)-2,3-dihydroindole-1-carboxamide
CID 70854071
2-[4-[4-[4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-7-yl]phenyl]cyclohexyl]acetic acid
CID 58064355
7-(4-cyclohexylphenyl)-N-(2-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 70854032
5-(4-cyclohexylphenyl)-N-cyclopentyl-2,3-dihydroindole-1-carboxamide
CID 70854159
N-(3-fluorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxamide
CID 64851405
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
N-(4-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane
CID 176960927
N-(4-cyclohexylphenyl)benzamide
CID 10333838
phenyl N-(4-cyclohexylphenyl)carbamate
CID 176960399
7-[4-[4-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-2-oxoethyl]cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 58064521

Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclohexylphenyl)-N-phenyl-3,4-dihydro-2H-quinoxaline-1-carboxamide?
The IUPAC name of 7-(4-cyclohexylphenyl)-N-phenyl-3,4-dihydro-2H-quinoxaline-1-carboxamide (CID 70854155) is 7-(4-cyclohexylphenyl)-N-phenyl-3,4-dihydro-2H-quinoxaline-1-carboxamide.
What is the SMILES notation for 7-(4-cyclohexylphenyl)-N-phenyl-3,4-dihydro-2H-quinoxaline-1-carboxamide?
The canonical SMILES for 7-(4-cyclohexylphenyl)-N-phenyl-3,4-dihydro-2H-quinoxaline-1-carboxamide is O=C(Nc1ccccc1)N1CCNc2ccc(-c3ccc(C4CCCCC4)cc3)cc21.
What is the InChIKey of 7-(4-cyclohexylphenyl)-N-phenyl-3,4-dihydro-2H-quinoxaline-1-carboxamide?
The InChIKey is RGRFLZNRSCENFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O/c31-27(29-24-9-5-2-6-10-24)30-18-17-28-25-16-15-23(19-26(25)30)22-13-11-21(12-14-22)20-7-3-1-4-8-20/h2,5-6,9-16,19-20,28H,1,3-4,7-8,17-18H2,(H,29,31).
What are the key properties of 7-(4-cyclohexylphenyl)-N-phenyl-3,4-dihydro-2H-quinoxaline-1-carboxamide?
7-(4-cyclohexylphenyl)-N-phenyl-3,4-dihydro-2H-quinoxaline-1-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 6.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclohexylphenyl)-N-phenyl-3,4-dihydro-2H-quinoxaline-1-carboxamide is sourced from PubChem (CID 70854155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).